N4-(furan-2-ylmethyl)-5-nitro-N6-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(furan-2-ylmethyl)-5-nitro-N6-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Openeye Name: N4-(2-furylmethyl)-5-nitro-N6-[2-(1-piperidyl)ethyl]pyrimidine-4,6-diamine CAS Name: N4-(2-furanylmethyl)-5-nitro-N6-[2-(1-piperidinyl)ethyl]pyrimidine-4,6-diamine IUPAC Name: 4-N-(furan-2-ylmethyl)-5-nitro-6-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Traditional Name: 2-furfuryl-[5-nitro-6-(2-piperidinoethylamino)pyrimidin-4-yl]amine Formula: C16H22N6O3 MolecularWeight: 346.38428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=CO3

Isomeric SMILES

C1CCN(CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=CO3

InChI

InChI=1S/C16H22N6O3/c23-22(24)14-15(17-6-9-21-7-2-1-3-8-21)19-12-20-16(14)18-11-13-5-4-10-25-13/h4-5,10,12H,1-3,6-9,11H2,(H2,17,18,19,20)